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QSAR-based virtual screening: advances and applications in drug discovery
BJ Neves, RC Braga, CC Melo-Filho, JT Moreira-Filho, EN Muratov, ...
Frontiers in pharmacology 9, 1275, 2018
Chalcone derivatives: promising starting points for drug design
MN Gomes, EN Muratov, M Pereira, JC Peixoto, LP Rosseto, PVL Cravo, ...
Molecules 22 (8), 1210, 2017
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
LR de Souza Neto, JT Moreira-Filho, BJ Neves, RLBR Maidana, ...
Frontiers in chemistry 8, 93, 2020
QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity
MN Gomes, RC Braga, EM Grzelak, BJ Neves, E Muratov, R Ma, LL Klein, ...
European journal of medicinal chemistry 137, 126-138, 2017
Déjà vu: stimulating open drug discovery for SARS-CoV-2
S Ekins, M Mottin, PRPS Ramos, BKP Sousa, BJ Neves, DH Foil, KM Zorn, ...
Drug discovery today 25 (5), 928-941, 2020
Natural products as leads in schistosome drug discovery
BJ Neves, CH Andrade, PVL Cravo
Molecules 20 (2), 1872-1903, 2015
Discovery of new anti-schistosomal hits by integration of QSAR-based virtual screening and high content screening
BJ Neves, RF Dantas, MR Senger, CC Melo-Filho, WCG Valente, ...
Journal of medicinal chemistry 59 (15), 7075-7088, 2016
In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni
BJ Neves, RC Braga, JCB Bezerra, PVL Cravo, CH Andrade
PLoS Neglected Tropical Diseases 9 (1), e3435, 2015
Deep Learning-driven research for drug discovery: Tackling Malaria
BJ Neves, RC Braga, VM Alves, MNN Lima, GC Cassiano, EN Muratov, ...
PLoS computational biology 16 (2), e1007025, 2020
QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni
CC Melo-Filho, RF Dantas, RC Braga, BJ Neves, MR Senger, ...
Journal of chemical information and modeling 56 (7), 1357-1372, 2016
Illustrating and homology modeling the proteins of the Zika virus
S Ekins, J Liebler, BJ Neves, WG Lewis, M Coffee, R Bienstock, ...
F1000Research 5, 2016
Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular …
LF Martins, JT Mesquita, EG Pinto, TA Costa-Silva, SET Borborema, ...
Journal of natural products 79 (9), 2202-2210, 2016
Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against …
SS Grecco, TA Costa-Silva, G Jerz, FS de Sousa, GAA Conserva, ...
Phytomedicine 24, 62-67, 2017
Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum
MN Gomes, LM Alcântara, BJ Neves, CC Melo-Filho, LH Freitas-Junior, ...
Bioorganic & medicinal chemistry letters 27 (11), 2459-2464, 2017
Structural insights into a novel anticancer sulfonamide chalcone
JMF Custodio, LJ Michelini, MRC de Castro, WF Vaz, BJ Neves, ...
New Journal of Chemistry 42 (5), 3426-3434, 2018
Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand-and structure-based drug design approaches
BJ Neves, RV Bueno, RC Braga, CH Andrade
Bioorganic & medicinal chemistry letters 23 (8), 2436-2441, 2013
In silico chemogenomics drug repositioning strategies for neglected tropical diseases
CH Andrade, BJ Neves, CC Melo-Filho, J Rodrigues, DC Silva, RC Braga, ...
Current Medicinal Chemistry 26 (23), 4355-4379, 2019
Neolignans from leaves of Nectandra leucantha (Lauraceae) display in vitro antitrypanosomal activity via plasma membrane and mitochondrial damages
SS Grecco, TA Costa-Silva, G Jerz, FS de Sousa, VS Londero, ...
Chemico-biological interactions 277, 55-61, 2017
Dealing with frequent hitters in drug discovery: a multidisciplinary view on the issue of filtering compounds on biological screenings
RF Dantas, TCS Evangelista, BJ Neves, MR Senger, CH Andrade, ...
Expert Opinion on Drug Discovery 14 (12), 1269-1282, 2019
Efficacy of sertraline against Trypanosoma cruzi: an in vitro and in silico study
DD Ferreira, JT Mesquita, TAC Silva, MM Romanelli, DGJ Batista, ...
Journal of Venomous Animals and Toxins including Tropical Diseases 24, 30, 2018
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